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Title: Materials Data on Sr2HoRuO6 by Materials Project

Abstract

Sr2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.92 Å. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. All Ho–O bond lengths are 2.23 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. All Ru–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Ho3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ho3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ho3+, and one Ru5+ atom.

Publication Date:
Other Number(s):
mp-6676
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2HoRuO6; Ho-O-Ru-Sr
OSTI Identifier:
1281550
DOI:
10.17188/1281550

Citation Formats

The Materials Project. Materials Data on Sr2HoRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281550.
The Materials Project. Materials Data on Sr2HoRuO6 by Materials Project. United States. doi:10.17188/1281550.
The Materials Project. 2020. "Materials Data on Sr2HoRuO6 by Materials Project". United States. doi:10.17188/1281550. https://www.osti.gov/servlets/purl/1281550. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1281550,
title = {Materials Data on Sr2HoRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.92 Å. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. All Ho–O bond lengths are 2.23 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. All Ru–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Ho3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ho3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ho3+, and one Ru5+ atom.},
doi = {10.17188/1281550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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